Geometry & MOs

Info

ID:	25542
PubChem CID:	626307
Reduced:	O2N6C15H16 (1)
Stoich.:	A2B6C15D16 (1)
Weight, g/mol:	294.022977
ΔH_f, kcal/mol:	146.1
Dipole, Da:	4.0
IP(EA), eV:	-8.11(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrimidine

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=NNC2=C(CCC3=NON=C32)N=O

DOS

IR

Vibrations